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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(1-methyl-2-imidazolyl)-phenylmethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[(1-methylimidazol-2-yl)-phenyl-methyl]amine Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4S/c1-26-16-13-24-23(26)22(18-9-5-4-6-10-18)25-20-12-11-19(17-21(20)28(29)30)33(31,32)27-14-7-2-3-8-15-27/h4-6,9-13,16-17,22,25H,2-3,7-8,14-15H2,1H3