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

Systemtic Name: N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]naphthalene-2-sulfonamide Openeye Name: N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]naphthalene-2-sulfonamide CAS Name: N-[3-[[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-oxomethyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]naphthalene-2-sulfonamide Traditional Name: N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]phenyl]naphthalene-2-sulfonamide Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5CC5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)CC5CC5

InChI

InChI=1S/C26H29N3O3S/c30-26(29-14-4-13-28(15-16-29)19-20-9-10-20)23-7-3-8-24(17-23)27-33(31,32)25-12-11-21-5-1-2-6-22(21)18-25/h1-3,5-8,11-12,17-18,20,27H,4,9-10,13-16,19H2