N-(2-dimethylaminoethyl)-4-[(6-methoxypyridin-3-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(6-methoxypyridin-3-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[(6-methoxy-3-pyridyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[(6-methoxy-3-pyridinyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[(6-methoxypyridin-3-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[(6-methoxy-3-pyridyl)amino]-3-nitro-benzenesulfonamide Formula: C16H21N5O5S MolecularWeight: 395.43344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=CN=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=CN=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S/c1-20(2)9-8-18-27(24,25)13-5-6-14(15(10-13)21(22)23)19-12-4-7-16(26-3)17-11-12/h4-7,10-11,18-19H,8-9H2,1-3H3