N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(4-tert-butylphenyl)carbonyl-4-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(4-tert-butylphenyl)-oxomethyl]-4-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-4-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(4-tert-butylbenzoyl)-4-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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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=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H30N4O4S2/c1-22(2,3)17-8-6-16(7-9-17)21(28)26-13-12-25(15-18(26)20(27)24-11-10-23)32(29,30)19-5-4-14-31-19/h4-9,14,18H,10-13,15,23H2,1-3H3,(H,24,27)