N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-ethyl-benzotriazole-5-carboxamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-ethyl-benzotriazole-5-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-ethyl-benzotriazole-5-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-1-ethyl-5-benzotriazolecarboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-ethylbenzotriazole-5-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-1-ethyl-benzotriazole-5-carboxamide Formula: C19H20ClN5O3S MolecularWeight: 433.9118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)N=N1

InChI

InChI=1S/C19H20ClN5O3S/c1-2-25-17-8-5-13(11-16(17)22-23-25)19(26)21-14-6-7-15(20)18(12-14)29(27,28)24-9-3-4-10-24/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,26)