4-(4-bromanyl-3-methyl-phenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-bromanyl-3-methyl-phenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide Openeye Name: 4-(4-bromo-3-methyl-phenyl)sulfonyl-N-(3-isopropoxypropyl)piperazine-1-carboxamide CAS Name: 4-(4-bromo-3-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-bromo-3-methylphenyl)sulfonyl-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide Traditional Name: 4-(4-bromo-3-methyl-phenyl)sulfonyl-N-(3-isopropoxypropyl)piperazine-1-carboxamide Formula: C18H28BrN3O4S MolecularWeight: 462.40162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCCOC(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCCOC(C)C)Br

InChI

InChI=1S/C18H28BrN3O4S/c1-14(2)26-12-4-7-20-18(23)21-8-10-22(11-9-21)27(24,25)16-5-6-17(19)15(3)13-16/h5-6,13-14H,4,7-12H2,1-3H3,(H,20,23)