1-(3-piperidin-1-ylcarbonyl-7-thiomorpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 1-(3-piperidin-1-ylcarbonyl-7-thiomorpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-[3-(piperidine-1-carbonyl)-7-thiomorpholinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 1-[3-[oxo(1-piperidinyl)methyl]-7-thiomorpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 1-[3-(piperidine-1-carbonyl)-7-thiomorpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 1-[3-(piperidine-1-carbonyl)-7-thiomorpholinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(CC1C(=O)N3CCCCC3)C=CC(=C2)S(=O)(=O)N4CCSCC4

Isomeric SMILES

CC(=O)N1CC2=C(CC1C(=O)N3CCCCC3)C=CC(=C2)S(=O)(=O)N4CCSCC4

InChI

InChI=1S/C21H29N3O4S2/c1-16(25)24-15-18-13-19(30(27,28)23-9-11-29-12-10-23)6-5-17(18)14-20(24)21(26)22-7-3-2-4-8-22/h5-6,13,20H,2-4,7-12,14-15H2,1H3