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

Systemtic Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(1-methylimidazol-2-yl)-phenyl-methyl]-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[(1-methyl-2-imidazolyl)-phenylmethyl]-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(1-methylimidazol-2-yl)-phenyl-methyl]-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C3=CC=CC=C3)C4=NC=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C3=CC=CC=C3)C4=NC=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4S/c1-17-7-6-13-27(16-17)33(31,32)19-10-11-20(21(15-19)28(29)30)25-22(18-8-4-3-5-9-18)23-24-12-14-26(23)2/h3-5,8-12,14-15,17,22,25H,6-7,13,16H2,1-2H3