N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]-4-propan-2-yl-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]-4-isopropyl-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-4-propan-2-ylbenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]-4-propan-2-ylbenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-4-isopropyl-benzamide Formula: C27H39N4O3S+ MolecularWeight: 499.68856

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C27H38N4O3S/c1-4-29-16-18-30(19-17-29)26-13-12-24(35(33,34)31-14-6-5-7-15-31)20-25(26)28-27(32)23-10-8-22(9-11-23)21(2)3/h8-13,20-21H,4-7,14-19H2,1-3H3,(H,28,32)/p+1