N-[3-(azepan-1-ium-1-yl)propyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCCC[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NCCC[NH+]3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-18-7-8-19(29(26,27)24-13-15-28-16-14-24)17-20(18)21(25)22-9-6-12-23-10-4-2-3-5-11-23/h7-8,17H,2-6,9-16H2,1H3,(H,22,25)/p+1