N-[(R)-cyclopropyl(phenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(R)-cyclopropyl(phenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[(R)-cyclopropyl(phenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[(R)-cyclopropyl(phenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[(R)-cyclopropyl(phenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H](C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-24-12-14-25(15-13-24)29(27,28)20-9-5-8-19(16-20)22(26)23-21(18-10-11-18)17-6-3-2-4-7-17/h2-9,16,18,21H,10-15H2,1H3,(H,23,26)/p+1/t21-/m0/s1