N,N-dimethyl-2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-(3-pyrrolidin-1-ylsulfonylphenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(3-pyrrolidinosulfonylbenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H30N4O4S/c1-21(2)19(25)16-22-9-6-10-23(14-13-22)20(26)17-7-5-8-18(15-17)29(27,28)24-11-3-4-12-24/h5,7-8,15H,3-4,6,9-14,16H2,1-2H3/p+1