N-(1-methoxypropan-2-yl)-3-nitro-4-[(4-pyrrolidin-1-ylphenyl)amino]benzenesulfonamide

Systemtic Name: N-(1-methoxypropan-2-yl)-3-nitro-4-[(4-pyrrolidin-1-ylphenyl)amino]benzenesulfonamide Openeye Name: N-(2-methoxy-1-methyl-ethyl)-3-nitro-4-(4-pyrrolidin-1-ylanilino)benzenesulfonamide CAS Name: N-(1-methoxypropan-2-yl)-3-nitro-4-[4-(1-pyrrolidinyl)anilino]benzenesulfonamide IUPAC Name: N-(1-methoxypropan-2-yl)-3-nitro-4-(4-pyrrolidin-1-ylanilino)benzenesulfonamide Traditional Name: N-(2-methoxy-1-methyl-ethyl)-3-nitro-4-(4-pyrrolidinoanilino)benzenesulfonamide Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-15(14-29-2)22-30(27,28)18-9-10-19(20(13-18)24(25)26)21-16-5-7-17(8-6-16)23-11-3-4-12-23/h5-10,13,15,21-22H,3-4,11-12,14H2,1-2H3