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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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