2-[[5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]pyridin-2-yl]carbonylamino]ethyl 2-methylbenzoate

Systemtic Name: 2-[[5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]pyridin-2-yl]carbonylamino]ethyl 2-methylbenzoate Openeye Name: 2-[[5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid 2-[[[5-[[[4-(2-acetamidoethyl)phenyl]sulfonylamino]-oxomethyl]-2-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 2-[[5-[[4-(2-acetamidoethyl)phenyl]sulfonylcarbamoyl]picolinoyl]amino]ethyl ester Formula: C27H28N4O7S MolecularWeight: 552.59882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCCNC(=O)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)CCNC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCCNC(=O)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)CCNC(=O)C

InChI

InChI=1S/C27H28N4O7S/c1-18-5-3-4-6-23(18)27(35)38-16-15-29-26(34)24-12-9-21(17-30-24)25(33)31-39(36,37)22-10-7-20(8-11-22)13-14-28-19(2)32/h3-12,17H,13-16H2,1-2H3,(H,28,32)(H,29,34)(H,31,33)