N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-keto-1,3-dihydrobenzimidazole-5-sulfonamide Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C19H22N4O5S2/c24-19-20-17-10-9-16(13-18(17)21-19)29(25,26)22-14-5-7-15(8-6-14)30(27,28)23-11-3-1-2-4-12-23/h5-10,13,22H,1-4,11-12H2,(H2,20,21,24)