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

Systemtic Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (4-methoxy-3-pyrrolidinosulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N2O4S2/c1-16-11-14-24(18-7-3-4-8-20(18)29-16)22(25)17-9-10-19(28-2)21(15-17)30(26,27)23-12-5-6-13-23/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3