N-tert-butyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-methoxyphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C18H30N3O4S+ MolecularWeight: 384.5135

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H29N3O4S/c1-18(2,3)19-17(22)14-20-10-5-11-21(13-12-20)26(23,24)16-8-6-15(25-4)7-9-16/h6-9H,5,10-14H2,1-4H3,(H,19,22)/p+1