propyl 4-[[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: propyl 4-[[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: propyl 4-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]amino]benzoic acid propyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31N3O5S/c1-2-17-32-24(29)19-7-9-20(10-8-19)25-18-23(28)26-21-11-13-22(14-12-21)33(30,31)27-15-5-3-4-6-16-27/h7-14,25H,2-6,15-18H2,1H3,(H,26,28)