[2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(4-phenyl-1-piperazinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-phenylpiperazin-1-yl)-1,3-benzothiazol-6-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(4-phenylpiperazino)-1,3-benzothiazol-6-yl] ester Formula: C33H30N4O4S2 MolecularWeight: 610.7457

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC4=CC5=C(C=C4)N=C(S5)N6CCN(CC6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC4=CC5=C(C=C4)N=C(S5)N6CCN(CC6)C7=CC=CC=C7

InChI

InChI=1S/C33H30N4O4S2/c38-32(25-10-13-29(14-11-25)43(39,40)37-17-16-24-6-4-5-7-26(24)23-37)41-28-12-15-30-31(22-28)42-33(34-30)36-20-18-35(19-21-36)27-8-2-1-3-9-27/h1-15,22H,16-21,23H2