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

Systemtic Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)OC)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC=C2)OC)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O5S/c1-26-14-11-24-23(26)22(17-7-6-8-18(15-17)33-2)25-20-10-9-19(16-21(20)28(29)30)34(31,32)27-12-4-3-5-13-27/h6-11,14-16,22,25H,3-5,12-13H2,1-2H3/t22-/m0/s1