N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C26H37N4O3S+ MolecularWeight: 485.66198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H36N4O3S/c1-22-9-5-6-15-28(22)16-8-14-27-26(31)23-10-7-13-25(21-23)34(32,33)30-19-17-29(18-20-30)24-11-3-2-4-12-24/h2-4,7,10-13,21-22H,5-6,8-9,14-20H2,1H3,(H,27,31)/p+1/t22-/m0/s1