4-ethoxy-N-[3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[3-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]benzenesulfonamide Openeye Name: N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-4-ethoxy-benzenesulfonamide CAS Name: 4-ethoxy-N-[3-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-4-ethoxybenzenesulfonamide Traditional Name: N-[3-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-4-ethoxy-benzenesulfonamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-2-34-25-12-14-26(15-13-25)35(32,33)28-24-11-6-10-23(20-24)27(31)30-17-7-16-29(18-19-30)21-22-8-4-3-5-9-22/h3-6,8-15,20,28H,2,7,16-19,21H2,1H3