4-[(4-methylphenyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-methylphenyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-methylanilino)-N-[3-(4-morpholin-4-iumyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-3-nitrobenzenesulfonamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-nitro-4-(p-toluidino)benzenesulfonamide Formula: C20H27N4O5S+ MolecularWeight: 435.51718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-16-3-5-17(6-4-16)22-19-8-7-18(15-20(19)24(25)26)30(27,28)21-9-2-10-23-11-13-29-14-12-23/h3-8,15,21-22H,2,9-14H2,1H3/p+1