(2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]propanamide

Systemtic Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]propanamide Openeye Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]propanamide CAS Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide Traditional Name: (2S)-2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]propionamide Formula: C26H34N5O5S+ MolecularWeight: 528.64366

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C(C)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)[C@H](C)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H33N5O5S/c1-3-29-10-12-30(13-11-29)25-9-8-23(37(33,34)31-14-16-35-17-15-31)18-24(25)28-26(32)20(2)36-22-6-4-21(19-27)5-7-22/h4-9,18,20H,3,10-17H2,1-2H3,(H,28,32)/p+1/t20-/m0/s1