N-[[3-cyclopropyl-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-N-prop-2-enyl-thiophene-2-carboxamide

Systemtic Name: N-[[3-cyclopropyl-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-N-prop-2-enyl-thiophene-2-carboxamide Openeye Name: N-allyl-N-[(2-benzylsulfonyl-3-cyclopropyl-imidazol-4-yl)methyl]thiophene-2-carboxamide CAS Name: N-[[3-cyclopropyl-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-N-prop-2-enyl-2-thiophenecarboxamide IUPAC Name: N-[(2-benzylsulfonyl-3-cyclopropylimidazol-4-yl)methyl]-N-prop-2-enylthiophene-2-carboxamide Traditional Name: N-allyl-N-[(2-benzylsulfonyl-3-cyclopropyl-imidazol-4-yl)methyl]thiophene-2-carboxamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CN=C(N1C2CC2)S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C=CCN(CC1=CN=C(N1C2CC2)S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H23N3O3S2/c1-2-12-24(21(26)20-9-6-13-29-20)15-19-14-23-22(25(19)18-10-11-18)30(27,28)16-17-7-4-3-5-8-17/h2-9,13-14,18H,1,10-12,15-16H2