(4-methylsulfonyl-1,4-diazepan-1-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone

Systemtic Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone Openeye Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[1-[(E)-styryl]sulfonyl-4-piperidyl]methanone CAS Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methanone IUPAC Name: (4-methylsulfonyl-1,4-diazepan-1-yl)-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-[1-[(E)-styryl]sulfonyl-4-piperidyl]methanone Formula: C20H29N3O5S2 MolecularWeight: 455.59136

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O5S2/c1-29(25,26)22-12-5-11-21(15-16-22)20(24)19-8-13-23(14-9-19)30(27,28)17-10-18-6-3-2-4-7-18/h2-4,6-7,10,17,19H,5,8-9,11-16H2,1H3/b17-10+