4-(4-methylphenyl)sulfonyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(4-methylphenyl)sulfonyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 3-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(4-methylphenyl)sulfonyl-3-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(4-methylphenyl)sulfonyl-3-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 3-[4-(2-piperidinoethoxy)benzyl]-4-tosyl-3,5-dihydro-2H-1,4-benzoxazepine Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3OCC2CC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3OCC2CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C30H36N2O4S/c1-24-9-15-29(16-10-24)37(33,34)32-22-26-7-3-4-8-30(26)36-23-27(32)21-25-11-13-28(14-12-25)35-20-19-31-17-5-2-6-18-31/h3-4,7-16,27H,2,5-6,17-23H2,1H3