N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-3-methyl-benzenesulfonamide

Systemtic Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-3-methyl-benzenesulfonamide Openeye Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-3-methyl-benzenesulfonamide CAS Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]-3-pyrrolidinyl]-3-methylbenzenesulfonamide IUPAC Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide Traditional Name: N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-3-methyl-benzenesulfonamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2CCN(C2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2CCN(C2)CCCOC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H29N3O3S/c1-21-4-2-5-27(18-21)34(31,32)29-25-14-16-30(20-25)15-3-17-33-26-12-10-24(11-13-26)23-8-6-22(19-28)7-9-23/h2,4-13,18,25,29H,3,14-17,20H2,1H3