piperidin-1-yl-[2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-5-yl]methanone

Systemtic Name: piperidin-1-yl-[2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-5-yl]methanone Openeye Name: [2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-5-yl]-(1-piperidyl)methanone CAS Name: 1-piperidinyl-[2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazol-5-yl]methanone IUPAC Name: piperidin-1-yl-[2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazol-5-yl]methanone Traditional Name: [2-[(4-p-cumenylsulfonylpiperazino)methyl]-1,3-benzoxazol-5-yl]-piperidino-methanone Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(O3)C=CC(=C4)C(=O)N5CCCCC5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=NC4=C(O3)C=CC(=C4)C(=O)N5CCCCC5

InChI

InChI=1S/C27H34N4O4S/c1-20(2)21-6-9-23(10-7-21)36(33,34)31-16-14-29(15-17-31)19-26-28-24-18-22(8-11-25(24)35-26)27(32)30-12-4-3-5-13-30/h6-11,18,20H,3-5,12-17,19H2,1-2H3