2-[[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[[1-[(4-chloranyl-3-ethoxy-phenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[[1-[(4-chloro-3-ethoxy-phenyl)methyl]-4-piperidyl]amino]-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[1-[(4-chloro-3-ethoxyphenyl)methyl]-4-piperidinyl]amino]-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[1-(4-chloro-3-ethoxy-benzyl)-4-piperidyl]amino]-1,3-benzoxazole-5-sulfonamide Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N)Cl

InChI

InChI=1S/C21H25ClN4O4S/c1-2-29-20-11-14(3-5-17(20)22)13-26-9-7-15(8-10-26)24-21-25-18-12-16(31(23,27)28)4-6-19(18)30-21/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,24,25)(H2,23,27,28)