2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-(4-chlorophenyl)sulfanyl-2-(methylamino)pentanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-(4-chlorophenyl)sulfanyl-2-(methylamino)pentanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-(4-chlorophenyl)sulfanyl-2-(methylamino)pentanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-5-[(4-chlorophenyl)thio]-2-(methylamino)pentanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-5-(4-chlorophenyl)sulfanyl-2-(methylamino)pentanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-5-[(4-chlorophenyl)thio]-2-(methylamino)valeric acid Formula: C23H27ClN2O5S2 MolecularWeight: 511.05388

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(CCCSC2=CC=C(C=C2)Cl)(C(=O)O)NC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(CCCSC2=CC=C(C=C2)Cl)(C(=O)O)NC

InChI

InChI=1S/C23H27ClN2O5S2/c1-4-5-16-31-19-9-13-21(14-10-19)33(29,30)26(3)23(25-2,22(27)28)15-6-17-32-20-11-7-18(24)8-12-20/h7-14,25H,6,15-17H2,1-3H3,(H,27,28)