N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethyl-2-oxo-benzimidazol-1-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(3-ethyl-2-oxo-1-benzimidazolyl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethyl-2-keto-benzimidazol-1-yl)propionamide Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H30N4O4S/c1-2-27-21-9-5-6-10-22(21)28(24(27)30)18-15-23(29)25-19-11-13-20(14-12-19)33(31,32)26-16-7-3-4-8-17-26/h5-6,9-14H,2-4,7-8,15-18H2,1H3,(H,25,29)