N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C24H25N3O4S2 MolecularWeight: 483.603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C24H25N3O4S2/c1-2-17-5-7-18(8-6-17)23(21-4-3-15-32-21)26-24(29)19-9-11-20(12-10-19)33(30,31)27-14-13-25-22(28)16-27/h3-12,15,23H,2,13-14,16H2,1H3,(H,25,28)(H,26,29)