6-[4-(4-chlorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine

Systemtic Name: 6-[4-(4-chlorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine Openeye Name: 6-[4-(4-chlorophenyl)sulfonyl-3-methyl-piperazin-1-yl]-10-methoxy-benzo[b][1,4]benzoxazepine CAS Name: 6-[4-(4-chlorophenyl)sulfonyl-3-methyl-1-piperazinyl]-10-methoxybenzo[b][1,4]benzoxazepine IUPAC Name: 6-[4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]-10-methoxybenzo[b][1,4]benzoxazepine Traditional Name: 6-[4-(4-chlorophenyl)sulfonyl-3-methyl-piperazino]-10-methoxy-benzo[b][1,4]benzoxazepine Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

InChI=1S/C25H24ClN3O4S/c1-17-16-28(14-15-29(17)34(30,31)19-12-10-18(26)11-13-19)25-20-6-5-9-23(32-2)24(20)33-22-8-4-3-7-21(22)27-25/h3-13,17H,14-16H2,1-2H3