N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-methyl-N-[(5-methyl-2-furanyl)methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-methyl-N-[(5-methyl-2-furyl)methyl]benzamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H21N3O5S/c1-13-6-7-15(26-13)11-20(2)18(23)14-4-3-5-16(10-14)27(24,25)21-9-8-19-17(22)12-21/h3-7,10H,8-9,11-12H2,1-2H3,(H,19,22)