1-(3-cyanophenyl)sulfonyl-N-(phenylmethyl)-4-prop-2-enyl-piperazine-2-carboxamide

Systemtic Name: 1-(3-cyanophenyl)sulfonyl-N-(phenylmethyl)-4-prop-2-enyl-piperazine-2-carboxamide Openeye Name: 4-allyl-N-benzyl-1-(3-cyanophenyl)sulfonyl-piperazine-2-carboxamide CAS Name: 1-(3-cyanophenyl)sulfonyl-N-(phenylmethyl)-4-prop-2-enyl-2-piperazinecarboxamide IUPAC Name: N-benzyl-1-(3-cyanophenyl)sulfonyl-4-prop-2-enylpiperazine-2-carboxamide Traditional Name: 4-allyl-N-benzyl-1-(3-cyanophenyl)sulfonyl-piperazine-2-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C=CCN1CCN(C(C1)C(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H24N4O3S/c1-2-11-25-12-13-26(30(28,29)20-10-6-9-19(14-20)15-23)21(17-25)22(27)24-16-18-7-4-3-5-8-18/h2-10,14,21H,1,11-13,16-17H2,(H,24,27)