[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: [4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [4-methoxy-3-(2-methylpiperidino)sulfonyl-phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C24H30N2O4S2 MolecularWeight: 474.636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(SC4=CC=CC=C43)C)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(SC4=CC=CC=C43)C)OC

InChI

InChI=1S/C24H30N2O4S2/c1-17-8-6-7-14-26(17)32(28,29)23-16-19(11-12-21(23)30-3)24(27)25-15-13-18(2)31-22-10-5-4-9-20(22)25/h4-5,9-12,16-18H,6-8,13-15H2,1-3H3