N-[1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-pyrrolidinyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-4-methyl-3-nitro-benzenesulfonamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CCN(C2)CC3=C(N(N=C3C)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CCN(C2)CC3=C(N(N=C3C)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

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