N-methyl-2-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-methyl-2-nitro-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-methyl-2-nitro-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: (1-benzylpyrazol-4-yl)methyl-methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

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