methyl 2-[[3-(cyclohexylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[3-(cyclohexylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[3-(cyclohexylamino)-5-pyrrolidin-1-ylsulfonyl-benzoyl]-methyl-amino]acetate CAS Name: 2-[[[3-(cyclohexylamino)-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(cyclohexylamino)-5-pyrrolidin-1-ylsulfonylbenzoyl]-methylamino]acetate Traditional Name: 2-[[3-(cyclohexylamino)-5-pyrrolidinosulfonyl-benzoyl]-methyl-amino]acetic acid methyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2)NC3CCCCC3

Isomeric SMILES

CN(CC(=O)OC)C(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2)NC3CCCCC3

InChI

InChI=1S/C21H31N3O5S/c1-23(15-20(25)29-2)21(26)16-12-18(22-17-8-4-3-5-9-17)14-19(13-16)30(27,28)24-10-6-7-11-24/h12-14,17,22H,3-11,15H2,1-2H3