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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C24H30N2O4S2 MolecularWeight: 474.636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C24H30N2O4S2/c1-18-13-16-26(21-9-5-6-10-23(21)31-18)24(27)20-17-19(11-12-22(20)30-2)32(28,29)25-14-7-3-4-8-15-25/h5-6,9-12,17-18H,3-4,7-8,13-16H2,1-2H3