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

Systemtic Name: N-(2-dimethylaminoethyl)-4-[(2-methoxypyridin-3-yl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[(2-methoxy-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[(2-methoxy-3-pyridinyl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[(2-methoxypyridin-3-yl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[(2-methoxy-3-pyridyl)methylamino]-3-nitro-benzenesulfonamide Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=C(N=CC=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=C(N=CC=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O5S/c1-21(2)10-9-20-28(25,26)14-6-7-15(16(11-14)22(23)24)19-12-13-5-4-8-18-17(13)27-3/h4-8,11,19-20H,9-10,12H2,1-3H3