1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]piperidine-2,6-dione

Systemtic Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]piperidine-2,6-dione Openeye Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]piperidine-2,6-dione CAS Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]piperidine-2,6-dione IUPAC Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]piperidine-2,6-dione Traditional Name: 1-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]piperidine-2,6-quinone Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CCCC2=O)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CCCC2=O)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N2O5S/c1-28-18-10-9-17(23-20(24)7-4-8-21(23)25)13-19(18)29(26,27)22-12-11-15-5-2-3-6-16(15)14-22/h2-3,5-6,9-10,13H,4,7-8,11-12,14H2,1H3