8-chloranyl-2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 8-chloranyl-2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 8-chloro-2-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 8-chloro-2-[4-methoxy-3-(1-piperazinyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 8-chloro-2-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 8-chloro-2-(4-methoxy-3-piperazino-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C(=CC=C3)Cl)N4CCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C(=CC=C3)Cl)N4CCNCC4

InChI

InChI=1S/C20H24ClN3O3S/c1-27-20-6-5-16(13-19(20)23-11-8-22-9-12-23)28(25,26)24-10-7-15-3-2-4-18(21)17(15)14-24/h2-6,13,22H,7-12,14H2,1H3