N-(3-imidazol-1-ylpropyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-piperazine-1-carboxamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCCN3C=CN=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCCN3C=CN=C3)C)C

InChI

InChI=1S/C22H33N5O3S/c1-16-17(2)19(4)21(20(5)18(16)3)31(29,30)27-13-11-26(12-14-27)22(28)24-7-6-9-25-10-8-23-15-25/h8,10,15H,6-7,9,11-14H2,1-5H3,(H,24,28)