N-prop-2-ynyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide

Systemtic Name: N-prop-2-ynyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide Openeye Name: N-prop-2-ynyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide CAS Name: N-prop-2-ynyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]butyl]-5-isoquinolinesulfonamide IUPAC Name: N-prop-2-ynyl-N-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]isoquinoline-5-sulfonamide Traditional Name: N-propargyl-N-[4-[4-(2,3,4-trimethoxybenzyl)piperazino]butyl]isoquinoline-5-sulfonamide Formula: C30H38N4O5S MolecularWeight: 566.71152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCCN(CC#C)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCCN(CC#C)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)OC)OC

InChI

InChI=1S/C30H38N4O5S/c1-5-15-34(40(35,36)28-10-8-9-24-22-31-14-13-26(24)28)17-7-6-16-32-18-20-33(21-19-32)23-25-11-12-27(37-2)30(39-4)29(25)38-3/h1,8-14,22H,6-7,15-21,23H2,2-4H3