azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone

Systemtic Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone Openeye Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone CAS Name: 1-azepanyl-[1-[(1-propyl-5-benzotriazolyl)sulfonyl]-2-pyrrolidinyl]methanone IUPAC Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone Traditional Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)N4CCCCCC4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)N4CCCCCC4)N=N1

InChI

InChI=1S/C20H29N5O3S/c1-2-11-24-18-10-9-16(15-17(18)21-22-24)29(27,28)25-14-7-8-19(25)20(26)23-12-5-3-4-6-13-23/h9-10,15,19H,2-8,11-14H2,1H3