(4-butylphenyl)-[3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]phenyl]sulfonyl-azanide

Systemtic Name: (4-butylphenyl)-[3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]phenyl]sulfonyl-azanide Openeye Name: (4-butylphenyl)-[3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]sulfonyl-azanide CAS Name: (4-butylphenyl)-[3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]phenyl]sulfonylazanide IUPAC Name: (4-butylphenyl)-[3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]sulfonylazanide Traditional Name: (4-butylphenyl)-[3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)phenyl]sulfonyl-azanide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)[N-]S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C23H30N3O3S/c1-3-4-7-19-10-12-21(13-11-19)24-30(28,29)22-9-5-8-20(18-22)23(27)26-15-6-14-25(2)16-17-26/h5,8-13,18H,3-4,6-7,14-17H2,1-2H3/q-1/p+1