N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]-3-pyrrolidinosulfonyl-benzamide Formula: C25H35N4O3S+ MolecularWeight: 471.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H34N4O3S/c1-21(12-15-27-16-18-28(19-17-27)23-9-3-2-4-10-23)26-25(30)22-8-7-11-24(20-22)33(31,32)29-13-5-6-14-29/h2-4,7-11,20-21H,5-6,12-19H2,1H3,(H,26,30)/p+1/t21-/m1/s1