N-[4-[5-(3,4-dimethoxyphenyl)-1,2,3-triazol-1-yl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-[5-(3,4-dimethoxyphenyl)-1,2,3-triazol-1-yl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[5-(3,4-dimethoxyphenyl)-1-triazolyl]phenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[5-(3,4-dimethoxyphenyl)triazol-1-yl]phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C27H27N5O5S MolecularWeight: 533.59878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=NN2C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)OC

InChI

InChI=1S/C27H27N5O5S/c1-36-25-14-7-20(17-26(25)37-2)24-18-28-30-32(24)22-10-8-21(9-11-22)29-27(33)19-5-12-23(13-6-19)38(34,35)31-15-3-4-16-31/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,29,33)