N,N-dimethyl-2-[4-(2-phenylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-(2-phenylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(2-phenylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-(2-phenylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-(2-phenylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(2-phenylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-22(2)21(25)17-23-13-8-14-24(16-15-23)28(26,27)20-12-7-6-11-19(20)18-9-4-3-5-10-18/h3-7,9-12H,8,13-17H2,1-2H3/p+1