N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-5-[[(E)-2-methyl-3-phenyl-prop-2-enyl]amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-5-[[(E)-2-methyl-3-phenyl-prop-2-enyl]amino]benzenesulfonamide Openeye Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[[(E)-2-methyl-3-phenyl-allyl]amino]benzenesulfonamide CAS Name: N-tert-butyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-5-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]benzenesulfonamide Traditional Name: N-tert-butyl-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-5-[[(E)-2-methyl-3-phenyl-allyl]amino]benzenesulfonamide Formula: C27H39N4O3S+ MolecularWeight: 499.68856

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CNC2=CC(=CC(=C2)C(=O)N3CCC[NH+](CC3)C)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CNC2=CC(=CC(=C2)C(=O)N3CCC[NH+](CC3)C)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C27H38N4O3S/c1-21(16-22-10-7-6-8-11-22)20-28-24-17-23(26(32)31-13-9-12-30(5)14-15-31)18-25(19-24)35(33,34)29-27(2,3)4/h6-8,10-11,16-19,28-29H,9,12-15,20H2,1-5H3/p+1/b21-16+