N-tert-butyl-1-[3-[2-methylpropyl(phenylsulfonyl)amino]-2-oxidanyl-propyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[3-[2-methylpropyl(phenylsulfonyl)amino]-2-oxidanyl-propyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Openeye Name: 1-[3-[benzenesulfonyl(isobutyl)amino]-2-hydroxy-propyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide CAS Name: 1-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-N-tert-butyl-4-(3-pyridinylmethyl)-2-piperazinecarboxamide IUPAC Name: 1-[3-[benzenesulfonyl(2-methylpropyl)amino]-2-hydroxypropyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide Traditional Name: 1-[3-[besyl(isobutyl)amino]-2-hydroxy-propyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide Formula: C28H43N5O4S MolecularWeight: 545.73712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CN1CCN(CC1C(=O)NC(C)(C)C)CC2=CN=CC=C2)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN(CC(CN1CCN(CC1C(=O)NC(C)(C)C)CC2=CN=CC=C2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H43N5O4S/c1-22(2)17-33(38(36,37)25-11-7-6-8-12-25)20-24(34)19-32-15-14-31(18-23-10-9-13-29-16-23)21-26(32)27(35)30-28(3,4)5/h6-13,16,22,24,26,34H,14-15,17-21H2,1-5H3,(H,30,35)