2-[4-(2-methylpropyl)piperazin-1-yl]-4-naphthalen-1-ylsulfonyl-1,3-benzoxazole

Systemtic Name: 2-[4-(2-methylpropyl)piperazin-1-yl]-4-naphthalen-1-ylsulfonyl-1,3-benzoxazole Openeye Name: 2-(4-isobutylpiperazin-1-yl)-4-(1-naphthylsulfonyl)-1,3-benzoxazole CAS Name: 2-[4-(2-methylpropyl)-1-piperazinyl]-4-(1-naphthalenylsulfonyl)-1,3-benzoxazole IUPAC Name: 2-[4-(2-methylpropyl)piperazin-1-yl]-4-naphthalen-1-ylsulfonyl-1,3-benzoxazole Traditional Name: 2-(4-isobutylpiperazino)-4-(1-naphthylsulfonyl)-1,3-benzoxazole Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=NC3=C(O2)C=CC=C3S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=NC3=C(O2)C=CC=C3S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H27N3O3S/c1-18(2)17-27-13-15-28(16-14-27)25-26-24-21(31-25)10-6-12-23(24)32(29,30)22-11-5-8-19-7-3-4-9-20(19)22/h3-12,18H,13-17H2,1-2H3