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

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

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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)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC=C2)OC)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O5S/c1-27-15-12-25-24(27)23(18-8-7-9-19(16-18)34-2)26-21-11-10-20(17-22(21)29(30)31)35(32,33)28-13-5-3-4-6-14-28/h7-12,15-17,23,26H,3-6,13-14H2,1-2H3/t23-/m0/s1