N-(1H-benzimidazol-2-ylmethyl)-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-(1H-benzimidazol-2-ylmethyl)-N-methyl-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-methyl-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: 1H-benzimidazol-2-ylmethyl-methyl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2N1)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2N1)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H21N5O4S/c1-22(13-19-20-15-6-2-3-7-16(15)21-19)17-9-8-14(24(25)26)12-18(17)29(27,28)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,20,21)