N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C18H18ClN5O4S2 MolecularWeight: 467.94962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C18H18ClN5O4S2/c19-14-3-8-18(24-13-20-12-21-24)17(11-14)22-29(25,26)15-4-6-16(7-5-15)30(27,28)23-9-1-2-10-23/h3-8,11-13,22H,1-2,9-10H2