tert-butyl 6-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C29H32ClN3O5S MolecularWeight: 570.09948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C29H32ClN3O5S/c1-29(2,3)38-28(35)32-11-10-22-16-23(4-5-24(22)19-32)27(34)31-12-14-33(15-13-31)39(36,37)26-9-7-20-17-25(30)8-6-21(20)18-26/h4-9,16-18H,10-15,19H2,1-3H3