[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetate CAS Name: 2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]acetic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-pyrrolidinosulfonyl-2-thienyl)acetic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O5S2/c1-2-3-6-17-7-9-18(10-8-17)23-20(25)16-29-21(26)15-19-11-12-22(30-19)31(27,28)24-13-4-5-14-24/h7-12H,2-6,13-16H2,1H3,(H,23,25)