3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]phenyl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[4-[(2S)-2-methylpiperidino]sulfonylphenyl]methanone Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCSC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCSC4=CC=CC=C43

InChI

InChI=1S/C22H26N2O3S2/c1-17-7-4-5-15-24(17)29(26,27)19-12-10-18(11-13-19)22(25)23-14-6-16-28-21-9-3-2-8-20(21)23/h2-3,8-13,17H,4-7,14-16H2,1H3/t17-/m0/s1