4-[(3-methylphenyl)amino]-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide

Systemtic Name: 4-[(3-methylphenyl)amino]-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide Openeye Name: N-[1-(isopropylamino)-2-nitro-vinyl]-4-(3-methylanilino)pyridine-3-sulfonamide CAS Name: 4-(3-methylanilino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]-3-pyridinesulfonamide IUPAC Name: 4-(3-methylanilino)-N-[2-nitro-1-(propan-2-ylamino)ethenyl]pyridine-3-sulfonamide Traditional Name: N-[1-(isopropylamino)-2-nitro-vinyl]-4-(m-toluidino)pyridine-3-sulfonamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=C[N+](=O)[O-])NC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)NC(=C[N+](=O)[O-])NC(C)C

InChI

InChI=1S/C17H21N5O4S/c1-12(2)19-17(11-22(23)24)21-27(25,26)16-10-18-8-7-15(16)20-14-6-4-5-13(3)9-14/h4-12,19,21H,1-3H3,(H,18,20)