methyl 4-[[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-benzoate

Systemtic Name: methyl 4-[[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-benzoate Openeye Name: methyl 4-[[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]amino]-3-methyl-benzoic acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O5S/c1-17-14-18(23(28)31-2)10-11-21(17)24-16-22(27)25-19-8-7-9-20(15-19)32(29,30)26-12-5-3-4-6-13-26/h7-11,14-15,24H,3-6,12-13,16H2,1-2H3,(H,25,27)