methyl 5-[(2S,3S)-4-benzamido-3-chloranylsulfonyl-thiolan-2-yl]pentanoate

Systemtic Name: methyl 5-[(2S,3S)-4-benzamido-3-chloranylsulfonyl-thiolan-2-yl]pentanoate Openeye Name: methyl 5-[(2S,3S)-4-benzamido-3-chlorosulfonyl-tetrahydrothiophen-2-yl]pentanoate CAS Name: 5-[(2S,3S)-4-benzamido-3-chlorosulfonyl-2-thiolanyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[(2S,3S)-4-benzamido-3-chlorosulfonylthiolan-2-yl]pentanoate Traditional Name: 5-[(2S,3S)-4-benzamido-3-chlorosulfonyl-tetrahydrothiophen-2-yl]valeric acid methyl ester Formula: C17H22ClNO5S2 MolecularWeight: 419.94328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1C(C(CS1)NC(=O)C2=CC=CC=C2)S(=O)(=O)Cl

Isomeric SMILES

COC(=O)CCCC[C@H]1[C@H](C(CS1)NC(=O)C2=CC=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C17H22ClNO5S2/c1-24-15(20)10-6-5-9-14-16(26(18,22)23)13(11-25-14)19-17(21)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3,(H,19,21)/t13?,14-,16-/m0/s1