ethyl 4-[2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[(3-chlorophenyl)methylsulfonyl]-1-indolyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(3-chlorobenzyl)sulfonylindol-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C26H23ClN2O5S MolecularWeight: 510.98922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H23ClN2O5S/c1-2-34-26(31)19-10-12-21(13-11-19)28-25(30)16-29-15-24(22-8-3-4-9-23(22)29)35(32,33)17-18-6-5-7-20(27)14-18/h3-15H,2,16-17H2,1H3,(H,28,30)