(phenylmethyl) 4-[3-[2-dimethylaminoethyl(isoquinolin-5-ylsulfonyl)amino]-1-methoxy-1-phenyl-propyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-[2-dimethylaminoethyl(isoquinolin-5-ylsulfonyl)amino]-1-methoxy-1-phenyl-propyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[3-[2-dimethylaminoethyl(5-isoquinolylsulfonyl)amino]-1-methoxy-1-phenyl-propyl]piperazine-1-carboxylate CAS Name: 4-[3-[2-dimethylaminoethyl(5-isoquinolinylsulfonyl)amino]-1-methoxy-1-phenylpropyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[2-dimethylaminoethyl(isoquinolin-5-ylsulfonyl)amino]-1-methoxy-1-phenylpropyl]piperazine-1-carboxylate Traditional Name: 4-[3-[2-dimethylaminoethyl(5-isoquinolylsulfonyl)amino]-1-methoxy-1-phenyl-propyl]piperazine-1-carboxylic acid benzyl ester Formula: C35H43N5O5S MolecularWeight: 645.81142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CCC(C1=CC=CC=C1)(N2CCN(CC2)C(=O)OCC3=CC=CC=C3)OC)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C)CCN(CCC(C1=CC=CC=C1)(N2CCN(CC2)C(=O)OCC3=CC=CC=C3)OC)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C35H43N5O5S/c1-37(2)21-26-40(46(42,43)33-16-10-13-30-27-36-19-17-32(30)33)20-18-35(44-3,31-14-8-5-9-15-31)39-24-22-38(23-25-39)34(41)45-28-29-11-6-4-7-12-29/h4-17,19,27H,18,20-26,28H2,1-3H3