N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]acetamide CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]acetamide IUPAC Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]acetamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)C

InChI

InChI=1S/C21H29N3O3S2/c1-15-5-7-19(13-16(15)2)18(4)22-20(25)14-23-9-11-24(12-10-23)29(26,27)21-8-6-17(3)28-21/h5-8,13,18H,9-12,14H2,1-4H3,(H,22,25)