N-[2-[2-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[2-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[2-(2-amino-2-oxo-ethyl)tetrazol-5-yl]phenyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[2-(2-amino-2-oxoethyl)-5-tetrazolyl]phenyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[2-(2-amino-2-keto-ethyl)tetrazol-5-yl]phenyl]-4-piperidinosulfonyl-benzamide Formula: C21H23N7O4S MolecularWeight: 469.51682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NN(N=N4)CC(=O)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NN(N=N4)CC(=O)N

InChI

InChI=1S/C21H23N7O4S/c22-19(29)14-28-25-20(24-26-28)17-6-2-3-7-18(17)23-21(30)15-8-10-16(11-9-15)33(31,32)27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-14H2,(H2,22,29)(H,23,30)