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

Systemtic Name: N-[(3-methylthiophen-2-yl)methyl]-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(3-methyl-2-thienyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(3-methylthiophen-2-yl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 4-(3-ketopiperazino)sulfonyl-N-[(3-methyl-2-thienyl)methyl]benzamide Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C17H19N3O4S2/c1-12-6-9-25-15(12)10-19-17(22)13-2-4-14(5-3-13)26(23,24)20-8-7-18-16(21)11-20/h2-6,9H,7-8,10-11H2,1H3,(H,18,21)(H,19,22)