1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-(phenylsulfonyl)benzimidazol-2-one

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-(phenylsulfonyl)benzimidazol-2-one Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-3-(benzenesulfonyl)benzimidazol-2-one CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-3-(benzenesulfonyl)-2-benzimidazolone IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-3-(benzenesulfonyl)benzimidazol-2-one Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-3-besyl-benzimidazol-2-one Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N(C2=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N(C2=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S/c25-20(22-14-8-1-2-9-15-22)16-23-18-12-6-7-13-19(18)24(21(23)26)29(27,28)17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2