4-(3-imidazol-1-ylpropylamino)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-(3-imidazol-1-ylpropylamino)-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(1-imidazolyl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(3-imidazol-1-ylpropylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-(3-imidazol-1-ylpropylamino)-N-isopropyl-3-nitro-benzenesulfonamide Formula: C15H21N5O4S MolecularWeight: 367.42334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O4S/c1-12(2)18-25(23,24)13-4-5-14(15(10-13)20(21)22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-12,17-18H,3,6,8H2,1-2H3