N-[3-(benzimidazol-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[3-(1-benzimidazolyl)propyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 3-(benzimidazol-1-yl)propyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C=NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C=NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S/c26-25(27)20-14-16(30(28,29)24-12-3-4-13-24)8-9-18(20)21-10-5-11-23-15-22-17-6-1-2-7-19(17)23/h1-2,6-9,14-15,21H,3-5,10-13H2