(2S)-2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-(3-chloro-N-methylsulfonyl-anilino)acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-(3-chloro-N-mesyl-anilino)acetyl]amino]-N-ethyl-propionamide Formula: C14H20ClN3O4S MolecularWeight: 361.8443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O4S/c1-4-16-14(20)10(2)17-13(19)9-18(23(3,21)22)12-7-5-6-11(15)8-12/h5-8,10H,4,9H2,1-3H3,(H,16,20)(H,17,19)/t10-/m0/s1