N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-methoxy-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidinosulfonyl-benzamide Formula: C24H31N3O6S2 MolecularWeight: 521.64944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O6S2/c1-33-23-13-12-21(35(31,32)27-16-6-7-17-27)18-22(23)24(28)25-19-8-10-20(11-9-19)34(29,30)26-14-4-2-3-5-15-26/h8-13,18H,2-7,14-17H2,1H3,(H,25,28)