[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-18(22(26)24-17-19-9-5-4-6-10-19)30-23(27)20-11-13-21(14-12-20)31(28,29)25-15-7-2-3-8-16-25/h4-6,9-14,18H,2-3,7-8,15-17H2,1H3,(H,24,26)