N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: methyl-[(1-methylpyrazol-4-yl)methyl]-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=N1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H21N5O4S/c1-18(11-13-10-17-19(2)12-13)15-6-5-14(21(22)23)9-16(15)26(24,25)20-7-3-4-8-20/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3