N-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)NC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O4S/c1-29-20-8-10-21(11-9-20)30(27,28)25-13-4-7-19(16-25)23-22(26)24-14-12-17-5-2-3-6-18(17)15-24/h2-3,5-6,8-11,19H,4,7,12-16H2,1H3,(H,23,26)