4-(3,4-dimethoxyphenyl)sulfonyl-N-prop-2-ynyl-piperazine-1-carboxamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-prop-2-ynyl-piperazine-1-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-prop-2-ynyl-piperazine-1-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-prop-2-ynyl-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-prop-2-ynylpiperazine-1-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-propargyl-piperazine-1-carboxamide Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC#C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC#C)OC

InChI

InChI=1S/C16H21N3O5S/c1-4-7-17-16(20)18-8-10-19(11-9-18)25(21,22)13-5-6-14(23-2)15(12-13)24-3/h1,5-6,12H,7-11H2,2-3H3,(H,17,20)