N-[1-(4-hydroxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-[4-(m-tolyl)piperazin-1-yl]ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-(3-methylphenyl)-1-piperazinyl]propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(m-tolyl)piperazino]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C30H34N4O3S MolecularWeight: 530.68096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(CC3=CC=C(C=C3)O)N(C)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(CC3=CC=C(C=C3)O)N(C)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C30H34N4O3S/c1-23-5-3-7-26(19-23)34-17-15-33(16-18-34)22-27(20-24-9-11-28(35)12-10-24)32(2)38(36,37)30-8-4-6-25-21-31-14-13-29(25)30/h3-14,19,21,27,35H,15-18,20,22H2,1-2H3