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

Systemtic Name: N-[2-methyl-1-(4-propylphenyl)propyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-methyl-1-(4-propylphenyl)propyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-methyl-1-(4-propylphenyl)propyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-methyl-1-(4-propylphenyl)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[2-methyl-1-(4-propylphenyl)propyl]benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C24H31N3O4S/c1-4-6-18-9-11-19(12-10-18)23(17(2)3)26-24(29)20-7-5-8-21(15-20)32(30,31)27-14-13-25-22(28)16-27/h5,7-12,15,17,23H,4,6,13-14,16H2,1-3H3,(H,25,28)(H,26,29)