[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-piperazinyl]-(4-methoxyphenyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)piperazino]-(4-methoxyphenyl)methanone Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O4S/c1-28-20-8-6-18(7-9-20)21(25)22-12-14-23(15-13-22)29(26,27)24-11-10-17-4-2-3-5-19(17)16-24/h2-9H,10-16H2,1H3