N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-pyrrolidine-2-carboxamide Formula: C22H34N6O3S MolecularWeight: 462.60876

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NCCN4CCCCCC4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)NCCN4CCCCCC4)N=N1

InChI

InChI=1S/C22H34N6O3S/c1-2-12-27-20-10-9-18(17-19(20)24-25-27)32(30,31)28-15-7-8-21(28)22(29)23-11-16-26-13-5-3-4-6-14-26/h9-10,17,21H,2-8,11-16H2,1H3,(H,23,29)