3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O4S2/c1-27-18-10-9-16(15-20(18)29(25,26)22-11-4-5-12-22)21(24)23-13-6-14-28-19-8-3-2-7-17(19)23/h2-3,7-10,15H,4-6,11-14H2,1H3