[1-(3-naphthalen-2-ylpropyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(3-naphthalen-2-ylpropyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-[3-(2-naphthyl)propyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[3-(2-naphthalenyl)propyl]-3-pyrrolidinyl]methyl ester IUPAC Name: [1-(3-naphthalen-2-ylpropyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[3-(2-naphthyl)propyl]pyrrolidin-3-yl]methyl ester Formula: C25H29NO3S MolecularWeight: 423.56766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2)CCCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2)CCCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29NO3S/c1-20-8-12-25(13-9-20)30(27,28)29-19-22-14-16-26(18-22)15-4-5-21-10-11-23-6-2-3-7-24(23)17-21/h2-3,6-13,17,22H,4-5,14-16,18-19H2,1H3