[2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [2-chloranyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [2-chloro-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [2-chloro-5-(4-phenylpiperazino)sulfonyl-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C26H26ClN3O3S MolecularWeight: 496.02094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C26H26ClN3O3S/c27-25-11-10-23(18-24(25)26(31)29-13-12-20-6-4-5-7-21(20)19-29)34(32,33)30-16-14-28(15-17-30)22-8-2-1-3-9-22/h1-11,18H,12-17,19H2