(2S)-2-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]-N-ethyl-propionamide Formula: C12H18ClN3O4S2 MolecularWeight: 367.87202

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CN(C)S(=O)(=O)C1=CC=C(S1)Cl

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CN(C)S(=O)(=O)C1=CC=C(S1)Cl

InChI

InChI=1S/C12H18ClN3O4S2/c1-4-14-12(18)8(2)15-10(17)7-16(3)22(19,20)11-6-5-9(13)21-11/h5-6,8H,4,7H2,1-3H3,(H,14,18)(H,15,17)/t8-/m0/s1