3-azanyl-4-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: 3-azanyl-4-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: 3-amino-4-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)benzenesulfonamide CAS Name: 3-amino-4-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: 3-amino-4-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: 3-amino-4-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)benzenesulfonamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H21N5O4S/c18-16-12-15(5-6-17(16)21-9-2-7-19-8-10-21)27(25,26)20-13-3-1-4-14(11-13)22(23)24/h1,3-6,11-12,19-20H,2,7-10,18H2