benzenesulfonic acid; 2-[methyl-(4-propan-2-yloxyphenyl)amino]ethyl benzenesulfonate; piperidin-4-ol

Systemtic Name: benzenesulfonic acid; 2-[methyl-(4-propan-2-yloxyphenyl)amino]ethyl benzenesulfonate; piperidin-4-ol Openeye Name: benzenesulfonic acid; 2-(4-isopropoxy-N-methyl-anilino)ethyl benzenesulfonate; piperidin-4-ol CAS Name: benzenesulfonic acid; benzenesulfonic acid 2-(N-methyl-4-propan-2-yloxyanilino)ethyl ester; 4-piperidinol IUPAC Name: benzenesulfonic acid; 2-(N-methyl-4-propan-2-yloxyanilino)ethyl benzenesulfonate; piperidin-4-ol Traditional Name: benzenesulfonic acid 2-(4-isopropoxy-N-methyl-anilino)ethyl ester; besylic acid; piperidin-4-ol Formula: C29H40N2O8S2 MolecularWeight: 608.7665

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)N(C)CCOS(=O)(=O)C2=CC=CC=C2.C1CNCCC1O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)N(C)CCOS(=O)(=O)C2=CC=CC=C2.C1CNCCC1O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C18H23NO4S.C6H6O3S.C5H11NO/c1-15(2)23-17-11-9-16(10-12-17)19(3)13-14-22-24(20,21)18-7-5-4-6-8-18;7-10(8,9)6-4-2-1-3-5-6;7-5-1-3-6-4-2-5/h4-12,15H,13-14H2,1-3H3;1-5H,(H,7,8,9);5-7H,1-4H2