N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(diethylamino)-5-morpholin-4-ylsulfonyl-phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]acetamide CAS Name: N-[2-(diethylamino)-5-(4-morpholinylsulfonyl)phenyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2-(diethylamino)-5-morpholinosulfonyl-phenyl]acetamide Formula: C27H40N5O4S+ MolecularWeight: 530.7026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H39N5O4S/c1-3-31(4-2)26-11-10-24(37(34,35)32-16-18-36-19-17-32)20-25(26)28-27(33)22-30-14-12-29(13-15-30)21-23-8-6-5-7-9-23/h5-11,20H,3-4,12-19,21-22H2,1-2H3,(H,28,33)/p+1