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

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)benzoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(furan-2-carbonylamino)benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]benzoic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate Traditional Name: 2-(2-furoylamino)benzoic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H29N3O7S/c1-19-12-13-20(17-24(19)38(34,35)30-14-6-2-3-7-15-30)28-25(31)18-37-27(33)21-9-4-5-10-22(21)29-26(32)23-11-8-16-36-23/h4-5,8-13,16-17H,2-3,6-7,14-15,18H2,1H3,(H,28,31)(H,29,32)