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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C23H28N2O4S2 MolecularWeight: 460.60942

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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)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N2O4S2/c1-29-20-12-11-18(17-22(20)31(27,28)24-13-6-2-3-7-14-24)23(26)25-15-8-16-30-21-10-5-4-9-19(21)25/h4-5,9-12,17H,2-3,6-8,13-16H2,1H3