N-[3-[[4-(2-methylpropyl)-1,4-diazepan-1-yl]carbonyl]phenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[3-[[4-(2-methylpropyl)-1,4-diazepan-1-yl]carbonyl]phenyl]naphthalene-2-sulfonamide Openeye Name: N-[3-(4-isobutyl-1,4-diazepane-1-carbonyl)phenyl]naphthalene-2-sulfonamide CAS Name: N-[3-[[4-(2-methylpropyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-[4-(2-methylpropyl)-1,4-diazepane-1-carbonyl]phenyl]naphthalene-2-sulfonamide Traditional Name: N-[3-(4-isobutyl-1,4-diazepane-1-carbonyl)phenyl]naphthalene-2-sulfonamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)CN1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H31N3O3S/c1-20(2)19-28-13-6-14-29(16-15-28)26(30)23-9-5-10-24(17-23)27-33(31,32)25-12-11-21-7-3-4-8-22(21)18-25/h3-5,7-12,17-18,20,27H,6,13-16,19H2,1-2H3