methyl (2S)-2-[[4-[(2-ethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[4-[(2-ethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-[(2-ethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-[(2-ethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]sulfonyl-methylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[(2-ethyl-1,2-dihydroimidazol-3-yl)methyl]phenyl]sulfonyl-methylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-[(2-ethyl-4-imidazolin-1-yl)methyl]phenyl]sulfonyl-methyl-amino]-4-methyl-valeric acid methyl ester Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1NC=CN1CC2=CC=C(C=C2)S(=O)(=O)N(C)C(CC(C)C)C(=O)OC

Isomeric SMILES

CCC1NC=CN1CC2=CC=C(C=C2)S(=O)(=O)N(C)[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C20H31N3O4S/c1-6-19-21-11-12-23(19)14-16-7-9-17(10-8-16)28(25,26)22(4)18(13-15(2)3)20(24)27-5/h7-12,15,18-19,21H,6,13-14H2,1-5H3/t18-,19?/m0/s1