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

Systemtic Name: N-[3-[(4-propan-2-yl-1,4-diazepan-1-yl)carbonyl]phenyl]naphthalene-2-sulfonamide Openeye Name: N-[3-(4-isopropyl-1,4-diazepane-1-carbonyl)phenyl]naphthalene-2-sulfonamide CAS Name: N-[3-[oxo-(4-propan-2-yl-1,4-diazepan-1-yl)methyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(4-propan-2-yl-1,4-diazepane-1-carbonyl)phenyl]naphthalene-2-sulfonamide Traditional Name: N-[3-(4-isopropyl-1,4-diazepane-1-carbonyl)phenyl]naphthalene-2-sulfonamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)N1CCCN(CC1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29N3O3S/c1-19(2)27-13-6-14-28(16-15-27)25(29)22-9-5-10-23(17-22)26-32(30,31)24-12-11-20-7-3-4-8-21(20)18-24/h3-5,7-12,17-19,26H,6,13-16H2,1-2H3