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

Systemtic Name: N-[3-[(4-phenethyl-1,4-diazepan-1-yl)carbonyl]phenyl]naphthalene-2-sulfonamide Openeye Name: N-[3-(4-phenethyl-1,4-diazepane-1-carbonyl)phenyl]naphthalene-2-sulfonamide CAS Name: N-[3-[oxo-(4-phenethyl-1,4-diazepan-1-yl)methyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(4-phenethyl-1,4-diazepane-1-carbonyl)phenyl]naphthalene-2-sulfonamide Traditional Name: N-[3-(4-phenethyl-1,4-diazepane-1-carbonyl)phenyl]naphthalene-2-sulfonamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CCC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3S/c34-30(33-18-7-17-32(20-21-33)19-16-24-8-2-1-3-9-24)27-12-6-13-28(22-27)31-37(35,36)29-15-14-25-10-4-5-11-26(25)23-29/h1-6,8-15,22-23,31H,7,16-21H2