N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-5-phenyl-benzamide

Systemtic Name: N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-5-phenyl-benzamide Openeye Name: N-[(1S)-1-isoxazol-3-ylethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-benzamide CAS Name: N-[(1S)-1-(3-isoxazolyl)ethyl]-N-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-5-phenylbenzamide IUPAC Name: N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-5-phenylbenzamide Traditional Name: N-[(1S)-1-isoxazol-3-ylethyl]-N-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-benzamide Formula: C24H29N4O4S+ MolecularWeight: 469.57646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NOC=C1)N(C)C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

C[C@@H](C1=NOC=C1)N(C)C(=O)C2=CC(=CC(=C2)C3=CC=CC=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H28N4O4S/c1-18(23-9-14-32-25-23)27(3)24(29)21-15-20(19-7-5-4-6-8-19)16-22(17-21)33(30,31)28-12-10-26(2)11-13-28/h4-9,14-18H,10-13H2,1-3H3/p+1/t18-/m0/s1