(3S)-4-(4-methylphenyl)sulfonyl-3-[(4-phenylmethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzothiazepine

Systemtic Name: (3S)-4-(4-methylphenyl)sulfonyl-3-[(4-phenylmethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzothiazepine Openeye Name: (3S)-3-[(4-benzyloxyphenyl)methyl]-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzothiazepine CAS Name: (3S)-4-(4-methylphenyl)sulfonyl-3-[(4-phenylmethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzothiazepine IUPAC Name: (3S)-4-(4-methylphenyl)sulfonyl-3-[(4-phenylmethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzothiazepine Traditional Name: (3S)-3-(4-benzoxybenzyl)-4-tosyl-3,5-dihydro-2H-1,4-benzothiazepine Formula: C30H29NO3S2 MolecularWeight: 515.68616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3SCC2CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3SC[C@@H]2CC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H29NO3S2/c1-23-11-17-29(18-12-23)36(32,33)31-20-26-9-5-6-10-30(26)35-22-27(31)19-24-13-15-28(16-14-24)34-21-25-7-3-2-4-8-25/h2-18,27H,19-22H2,1H3/t27-/m0/s1