N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C24H29N5O5S MolecularWeight: 499.58256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C3=CC(=CC=C3)OC)C4=NC=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N[C@@H](C3=CC(=CC=C3)OC)C4=NC=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O5S/c1-17-9-12-28(13-10-17)35(32,33)20-7-8-21(22(16-20)29(30)31)26-23(24-25-11-14-27(24)2)18-5-4-6-19(15-18)34-3/h4-8,11,14-17,23,26H,9-10,12-13H2,1-3H3/t23-/m0/s1