N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-4-(3,5-dimethylpiperidino)sulfonyl-benzamide Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCN(CC3)CC(=O)N)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3CCN(CC3)CC(=O)N)C

InChI

InChI=1S/C21H32N4O4S/c1-15-11-16(2)13-25(12-15)30(28,29)19-5-3-17(4-6-19)21(27)23-18-7-9-24(10-8-18)14-20(22)26/h3-6,15-16,18H,7-14H2,1-2H3,(H2,22,26)(H,23,27)