2-[[4-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C26H37N4O4S+ MolecularWeight: 501.66138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H36N4O4S/c1-3-29(4-2)19-16-27-25(31)21-12-14-23(15-13-21)28-26(32)22-10-9-11-24(20-22)35(33,34)30-17-7-5-6-8-18-30/h9-15,20H,3-8,16-19H2,1-2H3,(H,27,31)(H,28,32)/p+1