2-(cyclopropylmethylsulfonylmethyl)-4-morpholin-4-yl-4-oxidanylidene-N-[3-oxidanylidene-1-(phenylsulfonyl)azepan-4-yl]butanamide

Systemtic Name: 2-(cyclopropylmethylsulfonylmethyl)-4-morpholin-4-yl-4-oxidanylidene-N-[3-oxidanylidene-1-(phenylsulfonyl)azepan-4-yl]butanamide Openeye Name: N-[1-(benzenesulfonyl)-3-oxo-azepan-4-yl]-2-(cyclopropylmethylsulfonylmethyl)-4-morpholino-4-oxo-butanamide CAS Name: N-[1-(benzenesulfonyl)-3-oxo-4-azepanyl]-2-(cyclopropylmethylsulfonylmethyl)-4-(4-morpholinyl)-4-oxobutanamide IUPAC Name: N-[1-(benzenesulfonyl)-3-oxoazepan-4-yl]-2-(cyclopropylmethylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanamide Traditional Name: N-(1-besyl-3-keto-azepan-4-yl)-2-(cyclopropylmethylsulfonylmethyl)-4-keto-4-morpholino-butyramide Formula: C25H35N3O8S2 MolecularWeight: 569.6907

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4CC4

Isomeric SMILES

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C(CC(=O)N3CCOCC3)CS(=O)(=O)CC4CC4

InChI

InChI=1S/C25H35N3O8S2/c29-23-16-28(38(34,35)21-5-2-1-3-6-21)10-4-7-22(23)26-25(31)20(18-37(32,33)17-19-8-9-19)15-24(30)27-11-13-36-14-12-27/h1-3,5-6,19-20,22H,4,7-18H2,(H,26,31)