[3-(thiophen-2-ylcarbonylamino)phenyl] 3-(azepan-1-ylsulfonyl)-4-methyl-benzoate

Systemtic Name: [3-(thiophen-2-ylcarbonylamino)phenyl] 3-(azepan-1-ylsulfonyl)-4-methyl-benzoate Openeye Name: [3-(thiophene-2-carbonylamino)phenyl] 3-(azepan-1-ylsulfonyl)-4-methyl-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methylbenzoic acid [3-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [3-(thiophene-2-carbonylamino)phenyl] 3-(azepan-1-ylsulfonyl)-4-methylbenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-benzoic acid [3-(2-thenoylamino)phenyl] ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H26N2O5S2/c1-18-11-12-19(16-23(18)34(30,31)27-13-4-2-3-5-14-27)25(29)32-21-9-6-8-20(17-21)26-24(28)22-10-7-15-33-22/h6-12,15-17H,2-5,13-14H2,1H3,(H,26,28)