(2S)-1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one

Systemtic Name: (2S)-1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Openeye Name: (2S)-1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one CAS Name: (2S)-1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-(3-methylphenoxy)-1-propanone IUPAC Name: (2S)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one Traditional Name: (2S)-1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-(3-methylphenoxy)propan-1-one Formula: C18H21ClN2O4S2 MolecularWeight: 428.95334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)O[C@@H](C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H21ClN2O4S2/c1-13-4-3-5-15(12-13)25-14(2)18(22)20-8-10-21(11-9-20)27(23,24)17-7-6-16(19)26-17/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1