3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[1-(2-thienylsulfonyl)-4-piperidyl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[1-(2-thienylsulfonyl)-4-piperidyl]methanone Formula: C19H22N2O3S3 MolecularWeight: 422.58458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H22N2O3S3/c22-19(21-10-4-14-25-17-6-2-1-5-16(17)21)15-8-11-20(12-9-15)27(23,24)18-7-3-13-26-18/h1-3,5-7,13,15H,4,8-12,14H2