(2S)-N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-[(2-chlorophenyl)methyl]-2-[4-(2-thienylsulfonyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propanamide IUPAC Name: (2S)-N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-(2-chlorobenzyl)-2-[4-(2-thienylsulfonyl)piperazino]propionamide Formula: C18H22ClN3O3S2 MolecularWeight: 427.96858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22ClN3O3S2/c1-14(18(23)20-13-15-5-2-3-6-16(15)19)21-8-10-22(11-9-21)27(24,25)17-7-4-12-26-17/h2-7,12,14H,8-11,13H2,1H3,(H,20,23)/t14-/m0/s1