2-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 2-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 2-nitro-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 2-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[2-(1-phenylpyrazol-4-yl)ethyl]amine Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CN(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4S/c27-26(28)21-14-19(31(29,30)24-12-4-5-13-24)8-9-20(21)22-11-10-17-15-23-25(16-17)18-6-2-1-3-7-18/h1-3,6-9,14-16,22H,4-5,10-13H2