N-[5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-methoxy-phenyl]ethanamide

Systemtic Name: N-[5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-methoxy-phenyl]ethanamide Openeye Name: N-[5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-methoxy-phenyl]acetamide CAS Name: N-[5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-methoxyphenyl]acetamide IUPAC Name: N-[5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-methoxyphenyl]acetamide Traditional Name: N-[5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-methoxy-phenyl]acetamide Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32)OC

InChI

InChI=1S/C18H20N2O4S2/c1-13(21)19-15-12-14(8-9-17(15)24-2)26(22,23)20-10-5-11-25-18-7-4-3-6-16(18)20/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,19,21)