4-[[3-(cyclopropylamino)phenyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[3-(cyclopropylamino)phenyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[3-(cyclopropylamino)anilino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(cyclopropylamino)anilino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[3-(cyclopropylamino)anilino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[3-(cyclopropylamino)anilino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=CC=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-12(2)21-27(25,26)16-8-9-17(18(11-16)22(23)24)20-15-5-3-4-14(10-15)19-13-6-7-13/h3-5,8-13,19-21H,6-7H2,1-2H3