1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-2-ethyl-butan-1-one Openeye Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-2-ethyl-butan-1-one CAS Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-piperazinyl]-2-ethyl-1-butanone IUPAC Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-2-ethylbutan-1-one Traditional Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazino]-2-ethyl-butan-1-one Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C26H35N3O4S/c1-4-20(5-2)26(30)28-16-14-27(15-17-28)24-18-23(10-11-25(24)33-3)34(31,32)29-13-12-21-8-6-7-9-22(21)19-29/h6-11,18,20H,4-5,12-17,19H2,1-3H3