1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl]guanidine

Systemtic Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1-piperidylsulfonyl)chroman-4-yl]guanidine CAS Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1-piperidinylsulfonyl)-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 1-(4-chlorophenyl)-3-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-piperidinosulfonyl-chroman-4-yl]guanidine Formula: C24H28ClN5O4S MolecularWeight: 518.02822

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3)N=C(NC#N)NC4=CC=C(C=C4)Cl)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCCC3)N=C(NC#N)NC4=CC=C(C=C4)Cl)O)C

InChI

InChI=1S/C24H28ClN5O4S/c1-24(2)22(31)21(29-23(27-15-26)28-17-8-6-16(25)7-9-17)19-14-18(10-11-20(19)34-24)35(32,33)30-12-4-3-5-13-30/h6-11,14,21-22,31H,3-5,12-13H2,1-2H3,(H2,27,28,29)/t21-,22+/m1/s1