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

Systemtic Name: methyl 2-[methyl-[3-(3-methylbutylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonyl-amino]ethanoate Openeye Name: methyl 2-[[3-(isopentylamino)-5-pyrrolidin-1-ylsulfonyl-benzoyl]-methyl-amino]acetate CAS Name: 2-[methyl-[[3-(3-methylbutylamino)-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[methyl-[3-(3-methylbutylamino)-5-pyrrolidin-1-ylsulfonylbenzoyl]amino]acetate Traditional Name: 2-[[3-(isoamylamino)-5-pyrrolidinosulfonyl-benzoyl]-methyl-amino]acetic acid methyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CC(=CC(=C1)C(=O)N(C)CC(=O)OC)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)CCNC1=CC(=CC(=C1)C(=O)N(C)CC(=O)OC)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C20H31N3O5S/c1-15(2)7-8-21-17-11-16(20(25)22(3)14-19(24)28-4)12-18(13-17)29(26,27)23-9-5-6-10-23/h11-13,15,21H,5-10,14H2,1-4H3