N-[3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-6-yl]benzenesulfonamide

Systemtic Name: N-[3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-6-yl]benzenesulfonamide Openeye Name: N-[3-[2-(1-benzyl-4-piperidyl)ethyl]-1,2-benzoxazol-6-yl]benzenesulfonamide CAS Name: N-[3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1,2-benzoxazol-6-yl]benzenesulfonamide IUPAC Name: N-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazol-6-yl]benzenesulfonamide Traditional Name: N-[3-[2-(1-benzyl-4-piperidyl)ethyl]indoxazen-6-yl]benzenesulfonamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=NOC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CCC2=NOC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3S/c31-34(32,24-9-5-2-6-10-24)29-23-12-13-25-26(28-33-27(25)19-23)14-11-21-15-17-30(18-16-21)20-22-7-3-1-4-8-22/h1-10,12-13,19,21,29H,11,14-18,20H2