azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonyl-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonylpiperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(1-propylbenzotriazol-5-yl)sulfonyl-4-piperidyl]methanone Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCCC4)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCCC4)N=N1

InChI

InChI=1S/C21H31N5O3S/c1-2-11-26-20-8-7-18(16-19(20)22-23-26)30(28,29)25-14-9-17(10-15-25)21(27)24-12-5-3-4-6-13-24/h7-8,16-17H,2-6,9-15H2,1H3