N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-piperidinosulfonyl-benzamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)N(C1=O)CC=C)C

InChI

InChI=1S/C26H31N3O5S/c1-4-14-29-22-17-20(10-13-23(22)34-18-26(2,3)25(29)31)27-24(30)19-8-11-21(12-9-19)35(32,33)28-15-6-5-7-16-28/h4,8-13,17H,1,5-7,14-16,18H2,2-3H3,(H,27,30)