4-(4-aminophenyl)sulfonyl-N-(3-fluoranyl-5-propoxy-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-aminophenyl)sulfonyl-N-(3-fluoranyl-5-propoxy-phenyl)piperazine-1-carboxamide Openeye Name: 4-(4-aminophenyl)sulfonyl-N-(3-fluoro-5-propoxy-phenyl)piperazine-1-carboxamide CAS Name: 4-(4-aminophenyl)sulfonyl-N-(3-fluoro-5-propoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-aminophenyl)sulfonyl-N-(3-fluoro-5-propoxyphenyl)piperazine-1-carboxamide Traditional Name: N-(3-fluoro-5-propoxy-phenyl)-4-sulfanilyl-piperazine-1-carboxamide Formula: C20H25FN4O4S MolecularWeight: 436.500303

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N)F

Isomeric SMILES

CCCOC1=CC(=CC(=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)N)F

InChI

InChI=1S/C20H25FN4O4S/c1-2-11-29-18-13-15(21)12-17(14-18)23-20(26)24-7-9-25(10-8-24)30(27,28)19-5-3-16(22)4-6-19/h3-6,12-14H,2,7-11,22H2,1H3,(H,23,26)