2-methyl-7-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-methyl-7-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-methyl-7-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-methyl-7-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-methyl-7-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-methyl-7-(4-piperidinopiperidino)sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C20H29N3O3S2/c1-15-13-20(24)21-18-14-17(5-6-19(18)27-15)28(25,26)23-11-7-16(8-12-23)22-9-3-2-4-10-22/h5-6,14-16H,2-4,7-13H2,1H3,(H,21,24)