(3S)-3-acetamido-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-phenyl-propanamide

Systemtic Name: (3S)-3-acetamido-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3-phenyl-propanamide Openeye Name: (3S)-3-acetamido-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-phenyl-propanamide CAS Name: (3S)-3-acetamido-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-3-phenylpropanamide IUPAC Name: (3S)-3-acetamido-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-phenylpropanamide Traditional Name: (3S)-3-acetamido-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]-3-phenyl-propionamide Formula: C26H36N5O5S+ MolecularWeight: 530.65954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CC[NH+](CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CC[NH+](CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H35N5O5S/c1-20(32)27-23(21-6-4-3-5-7-21)19-26(33)28-24-18-22(37(34,35)31-14-16-36-17-15-31)8-9-25(24)30-12-10-29(2)11-13-30/h3-9,18,23H,10-17,19H2,1-2H3,(H,27,32)(H,28,33)/p+1/t23-/m0/s1