N-tert-butyl-3-nitro-4-[(4-pyrrolidin-1-ylphenyl)amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[(4-pyrrolidin-1-ylphenyl)amino]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-(4-pyrrolidin-1-ylanilino)benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[4-(1-pyrrolidinyl)anilino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-(4-pyrrolidin-1-ylanilino)benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-(4-pyrrolidinoanilino)benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-20(2,3)22-29(27,28)17-10-11-18(19(14-17)24(25)26)21-15-6-8-16(9-7-15)23-12-4-5-13-23/h6-11,14,21-22H,4-5,12-13H2,1-3H3