ethyl 4-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(1-methyl-3-phenyl-propyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-(4-phenylbutan-2-ylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-phenylbutan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1-methyl-3-phenyl-propyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5S/c1-3-32-25(29)22-11-13-23(14-12-22)33(30,31)27-17-15-21(16-18-27)24(28)26-19(2)9-10-20-7-5-4-6-8-20/h4-8,11-14,19,21H,3,9-10,15-18H2,1-2H3,(H,26,28)