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

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

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)N4CCCCC4)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)N4CCCCC4)NC1=O

InChI

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