methyl 3-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C19H22ClN3O5S2 MolecularWeight: 471.97808

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCCC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCCC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H22ClN3O5S2/c1-22(30(26,27)18-8-7-16(20)29-18)12-17(24)21-14-11-13(19(25)28-2)5-6-15(14)23-9-3-4-10-23/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,24)