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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)CN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)CN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4S/c1-18-8-11-27(12-9-18)33(31,32)21-6-7-22(23(14-21)28(29)30)25-15-19-2-4-20(5-3-19)16-26-13-10-24-17-26/h2-7,10,13-14,17-18,25H,8-9,11-12,15-16H2,1H3