N-[2,8-dimethyl-7-(2-methylpropylcarbamoyl)-5,6-bis(oxidanyl)nonan-4-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2,8-dimethyl-7-(2-methylpropylcarbamoyl)-5,6-bis(oxidanyl)nonan-4-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2,3-dihydroxy-1-isobutyl-4-(isobutylcarbamoyl)-5-methyl-hexyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5,6-dihydroxy-2,8-dimethyl-7-[(2-methylpropylamino)-oxomethyl]nonan-4-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5,6-dihydroxy-2,8-dimethyl-7-(2-methylpropylcarbamoyl)nonan-4-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2,3-dihydroxy-1-isobutyl-4-(isobutylcarbamoyl)-5-methyl-hexyl]-4-pyrrolidinosulfonyl-benzamide Formula: C27H45N3O6S MolecularWeight: 539.7277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(C(C(C)C)C(=O)NCC(C)C)O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)CC(C(C(C(C(C)C)C(=O)NCC(C)C)O)O)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C27H45N3O6S/c1-17(2)15-22(24(31)25(32)23(19(5)6)27(34)28-16-18(3)4)29-26(33)20-9-11-21(12-10-20)37(35,36)30-13-7-8-14-30/h9-12,17-19,22-25,31-32H,7-8,13-16H2,1-6H3,(H,28,34)(H,29,33)