N-[(2S)-1-methoxypropan-2-yl]-4-[(3-methylphenyl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-1-methoxypropan-2-yl]-4-[(3-methylphenyl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-4-(m-tolylmethylamino)-3-nitro-benzenesulfonamide CAS Name: N-[(2S)-1-methoxypropan-2-yl]-4-[(3-methylphenyl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-1-methoxypropan-2-yl]-4-[(3-methylphenyl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-[(1S)-2-methoxy-1-methyl-ethyl]-4-[(3-methylbenzyl)amino]-3-nitro-benzenesulfonamide Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NC(C)COC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N[C@@H](C)COC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-13-5-4-6-15(9-13)11-19-17-8-7-16(10-18(17)21(22)23)27(24,25)20-14(2)12-26-3/h4-10,14,19-20H,11-12H2,1-3H3/t14-/m0/s1