4-[2-(phenylsulfonyl)ethyl]-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[2-(phenylsulfonyl)ethyl]-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[2-(benzenesulfonyl)ethyl]-1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[2-(benzenesulfonyl)ethyl]-1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[2-(benzenesulfonyl)ethyl]-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-besylethyl)-1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-1,4-diazepan-1-ium-5-one Formula: C23H33N2O3S+ MolecularWeight: 417.58472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H32N2O3S/c1-19(2)21-10-8-20(9-11-21)18-24-13-12-23(26)25(15-14-24)16-17-29(27,28)22-6-4-3-5-7-22/h3-8,21H,1,9-18H2,2H3/p+1/t21-/m1/s1