[(3S)-2-naphthalen-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-2-naphthalen-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(3S)-2-(1-naphthylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(3S)-2-(1-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(3S)-2-naphthalen-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(3S)-2-(1-naphthylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazino)methanone Formula: C30H29N3O3S MolecularWeight: 511.63456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@@H]3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H29N3O3S/c34-30(32-19-17-31(18-20-32)26-13-2-1-3-14-26)28-21-24-10-4-5-11-25(24)22-33(28)37(35,36)29-16-8-12-23-9-6-7-15-27(23)29/h1-16,28H,17-22H2/t28-/m0/s1