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

Systemtic Name: N-tert-butyl-2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-cyclohexylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H38N3O3S+ MolecularWeight: 436.63112

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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)C3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C23H37N3O3S/c1-23(2,3)24-22(27)18-25-14-7-15-26(17-16-25)30(28,29)21-12-10-20(11-13-21)19-8-5-4-6-9-19/h10-13,19H,4-9,14-18H2,1-3H3,(H,24,27)/p+1