N-[4-(1,4-diazepan-1-yl)-2-(methylsulfonylamino)phenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-(methylsulfonylamino)phenyl]naphthalene-2-sulfonamide Openeye Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]naphthalene-2-sulfonamide CAS Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]naphthalene-2-sulfonamide Traditional Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]naphthalene-2-sulfonamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H26N4O4S2/c1-31(27,28)24-22-16-19(26-13-4-11-23-12-14-26)8-10-21(22)25-32(29,30)20-9-7-17-5-2-3-6-18(17)15-20/h2-3,5-10,15-16,23-25H,4,11-14H2,1H3