N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]benzenesulfonamide

Systemtic Name: N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]benzenesulfonamide Openeye Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[3-(4-p-anisyl-1,4-diazepane-1-carbonyl)phenyl]benzenesulfonamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-33-24-13-11-21(12-14-24)20-28-15-6-16-29(18-17-28)26(30)22-7-5-8-23(19-22)27-34(31,32)25-9-3-2-4-10-25/h2-5,7-14,19,27H,6,15-18,20H2,1H3