N-[1-(2,5-dimethylphenyl)ethyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[1-(2,5-dimethylphenyl)ethyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-benzylsulfonyl-N-[1-(2,5-dimethylphenyl)ethyl]piperazine-1-carboxamide CAS Name: N-[1-(2,5-dimethylphenyl)ethyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: 4-benzylsulfonyl-N-[1-(2,5-dimethylphenyl)ethyl]piperazine-1-carboxamide Traditional Name: 4-benzylsulfonyl-N-[1-(2,5-dimethylphenyl)ethyl]piperazine-1-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-17-9-10-18(2)21(15-17)19(3)23-22(26)24-11-13-25(14-12-24)29(27,28)16-20-7-5-4-6-8-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)