[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] chromane-3-carboxylate CAS Name: 3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: chroman-3-carboxylic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3OC2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC3=CC=CC=C3OC2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N2O6S/c1-18-10-11-21(15-23(18)34(30,31)27-12-6-2-3-7-13-27)26-24(28)17-33-25(29)20-14-19-8-4-5-9-22(19)32-16-20/h4-5,8-11,15,20H,2-3,6-7,12-14,16-17H2,1H3,(H,26,28)