N-butyl-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-butyl-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-butyl-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-butyl-2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-butyl-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-butyl-2-(4-keto-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C19H27N3O4S2 MolecularWeight: 425.56538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C(=O)CCSC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCNC(=O)CN1C(=O)CCSC2=C1C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H27N3O4S2/c1-2-3-9-20-18(23)14-22-16-13-15(28(25,26)21-10-4-5-11-21)6-7-17(16)27-12-8-19(22)24/h6-7,13H,2-5,8-12,14H2,1H3,(H,20,23)