tert-butyl 4-[isoquinolin-5-ylsulfonyl(3-phenylpropyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[isoquinolin-5-ylsulfonyl(3-phenylpropyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-isoquinolylsulfonyl(3-phenylpropyl)amino]piperidine-1-carboxylate CAS Name: 4-[5-isoquinolinylsulfonyl(3-phenylpropyl)amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[isoquinolin-5-ylsulfonyl(3-phenylpropyl)amino]piperidine-1-carboxylate Traditional Name: 4-[5-isoquinolylsulfonyl(3-phenylpropyl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C28H35N3O4S/c1-28(2,3)35-27(32)30-19-15-24(16-20-30)31(18-8-11-22-9-5-4-6-10-22)36(33,34)26-13-7-12-23-21-29-17-14-25(23)26/h4-7,9-10,12-14,17,21,24H,8,11,15-16,18-20H2,1-3H3