N,N-diethyl-3-nitro-4-[(2-pyrrol-1-ylthiophen-3-yl)methylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(2-pyrrol-1-ylthiophen-3-yl)methylamino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(2-pyrrol-1-yl-3-thienyl)methylamino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[[2-(1-pyrrolyl)-3-thiophenyl]methylamino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(2-pyrrol-1-ylthiophen-3-yl)methylamino]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(2-pyrrol-1-yl-3-thienyl)methylamino]benzenesulfonamide Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=C(SC=C2)N3C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=C(SC=C2)N3C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S2/c1-3-22(4-2)29(26,27)16-7-8-17(18(13-16)23(24)25)20-14-15-9-12-28-19(15)21-10-5-6-11-21/h5-13,20H,3-4,14H2,1-2H3