N-methyl-4-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[[(1S)-2-morpholino-1-(p-tolyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[[(1S)-1-(4-methylphenyl)-2-(4-morpholinyl)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[[(1S)-2-morpholino-1-(p-tolyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CCOCC2)NC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CN2CCOCC2)NC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-15-3-5-16(6-4-15)19(14-23-9-11-29-12-10-23)22-18-8-7-17(30(27,28)21-2)13-20(18)24(25)26/h3-8,13,19,21-22H,9-12,14H2,1-2H3/t19-/m1/s1