2-[(4-iodophenyl)-methylsulfonyl-amino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(4-iodophenyl)-methylsulfonyl-amino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-iodo-N-methylsulfonyl-anilino)-N-[[4-(1-piperidylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-iodo-N-methylsulfonylanilino)-N-[[4-(1-piperidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-iodo-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-iodo-N-mesyl-anilino)-N-[4-(piperidinomethyl)benzyl]acetamide Formula: C22H28IN3O3S MolecularWeight: 541.44549

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)CN2CCCCC2)C3=CC=C(C=C3)I

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)CN2CCCCC2)C3=CC=C(C=C3)I

InChI

InChI=1S/C22H28IN3O3S/c1-30(28,29)26(21-11-9-20(23)10-12-21)17-22(27)24-15-18-5-7-19(8-6-18)16-25-13-3-2-4-14-25/h5-12H,2-4,13-17H2,1H3,(H,24,27)