[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C20H30N2O6S/c1-4-15(2)21-19(23)14-28-20(24)17-13-16(9-10-18(17)27-3)29(25,26)22-11-7-5-6-8-12-22/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H,21,23)/t15-/m0/s1