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

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-methyl-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(2-methyl-5-piperidinosulfonyl-phenyl)methanone Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C22H26N2O3S2/c1-17-10-11-18(29(26,27)23-12-5-2-6-13-23)16-19(17)22(25)24-14-7-15-28-21-9-4-3-8-20(21)24/h3-4,8-11,16H,2,5-7,12-15H2,1H3