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

Systemtic Name: N-cyclohexyl-2-(7-morpholin-4-ylsulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-cyclohexyl-2-(7-morpholinosulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-cyclohexyl-2-[7-(4-morpholinylsulfonyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-cyclohexyl-2-(7-morpholin-4-ylsulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-cyclohexyl-2-(4-keto-7-morpholinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C21H29N3O5S2 MolecularWeight: 467.60206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H29N3O5S2/c25-20(22-16-4-2-1-3-5-16)15-24-18-14-17(6-7-19(18)30-13-8-21(24)26)31(27,28)23-9-11-29-12-10-23/h6-7,14,16H,1-5,8-13,15H2,(H,22,25)