[4-methyl-1-[(7-methyl-3-oxidanyl-azepan-4-yl)-(phenylsulfonyl)amino]-1-oxidanylidene-pentan-2-yl]carbamic acid

Systemtic Name: [4-methyl-1-[(7-methyl-3-oxidanyl-azepan-4-yl)-(phenylsulfonyl)amino]-1-oxidanylidene-pentan-2-yl]carbamic acid Openeye Name: [1-[benzenesulfonyl-(3-hydroxy-7-methyl-azepan-4-yl)carbamoyl]-3-methyl-butyl]carbamic acid CAS Name: [1-[benzenesulfonyl-(3-hydroxy-7-methyl-4-azepanyl)amino]-4-methyl-1-oxopentan-2-yl]carbamic acid IUPAC Name: [1-[benzenesulfonyl-(3-hydroxy-7-methylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamic acid Traditional Name: [1-[besyl-(3-hydroxy-7-methyl-azepan-4-yl)carbamoyl]-3-methyl-butyl]carbamic acid Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(CN1)O)N(C(=O)C(CC(C)C)NC(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1CCC(C(CN1)O)N(C(=O)C(CC(C)C)NC(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H31N3O6S/c1-13(2)11-16(22-20(26)27)19(25)23(17-10-9-14(3)21-12-18(17)24)30(28,29)15-7-5-4-6-8-15/h4-8,13-14,16-18,21-22,24H,9-12H2,1-3H3,(H,26,27)