N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-4-(4-fluorophenyl)sulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-4-(4-fluorophenyl)sulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-4-(4-fluorophenyl)sulfonyl-piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-tert-butylphenyl)-oxomethyl]-4-(4-fluorophenyl)sulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-4-(4-fluorophenyl)sulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-4-(4-fluorophenyl)sulfonyl-piperazine-2-carboxamide Formula: C24H31FN4O4S MolecularWeight: 490.590743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)NCCN)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)NCCN)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H31FN4O4S/c1-24(2,3)18-6-4-17(5-7-18)23(31)29-15-14-28(16-21(29)22(30)27-13-12-26)34(32,33)20-10-8-19(25)9-11-20/h4-11,21H,12-16,26H2,1-3H3,(H,27,30)