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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCC3=NC4=CC=CC=C4N3

InChI

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