ethyl 4-[4-[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(1R)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2R)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1R)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C21H27N4O6S2+ MolecularWeight: 495.59228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C21H26N4O6S2/c1-3-31-21(28)15-4-6-16(7-5-15)33(29,30)25-11-9-24(10-12-25)14(2)19(27)23-20-17(18(22)26)8-13-32-20/h4-8,13-14H,3,9-12H2,1-2H3,(H2,22,26)(H,23,27)/p+1/t14-/m1/s1