N,N-diethyl-4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[3-(1-imidazolyl)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(3-imidazol-1-ylpropylamino)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(3-imidazol-1-ylpropylamino)-3-nitro-benzenesulfonamide Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4S/c1-3-20(4-2)26(24,25)14-6-7-15(16(12-14)21(22)23)18-8-5-10-19-11-9-17-13-19/h6-7,9,11-13,18H,3-5,8,10H2,1-2H3