ethyl (E)-4-[[(1R,3R,4S)-7,7-dimethyl-3-oxidanyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]methylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-[[(1R,3R,4S)-7,7-dimethyl-3-oxidanyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]methylamino]but-2-enoate Openeye Name: ethyl (E)-4-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)norbornan-2-yl]methylamino]but-2-enoate CAS Name: (E)-4-[[(1R,3R,4S)-3-hydroxy-7,7-dimethyl-4-(1'-spiro[indene-1,4'-piperidine]ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]methylamino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(1R,3R,4S)-3-hydroxy-7,7-dimethyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]methylamino]but-2-enoate Traditional Name: (E)-4-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)norbornan-2-yl]methylamino]but-2-enoic acid ethyl ester Formula: C30H42N2O5S MolecularWeight: 542.72988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCNCC1(CC2CCC1(C2(C)C)CS(=O)(=O)N3CCC4(CC3)C=CC5=CC=CC=C45)O

Isomeric SMILES

CCOC(=O)/C=C/CNC[C@]1(C[C@H]2CC[C@@]1(C2(C)C)CS(=O)(=O)N3CCC4(CC3)C=CC5=CC=CC=C45)O

InChI

InChI=1S/C30H42N2O5S/c1-4-37-26(33)10-7-17-31-21-30(34)20-24-12-14-29(30,27(24,2)3)22-38(35,36)32-18-15-28(16-19-32)13-11-23-8-5-6-9-25(23)28/h5-11,13,24,31,34H,4,12,14-22H2,1-3H3/b10-7+/t24-,29+,30+/m1/s1