3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]urea

Systemtic Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]urea Openeye Name: 1-[(4-allyloxyphenyl)methyl]-3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-1-methyl-urea CAS Name: 3-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]ethyl]-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]urea IUPAC Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-1-methyl-1-[(4-prop-2-enoxyphenyl)methyl]urea Traditional Name: 1-(4-allyloxybenzyl)-3-[2-[4-(azepan-1-ylsulfonyl)piperazino]ethyl]-1-methyl-urea Formula: C24H39N5O4S MolecularWeight: 493.66256

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OCC=C)C(=O)NCCN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OCC=C)C(=O)NCCN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H39N5O4S/c1-3-20-33-23-10-8-22(9-11-23)21-26(2)24(30)25-12-15-27-16-18-29(19-17-27)34(31,32)28-13-6-4-5-7-14-28/h3,8-11H,1,4-7,12-21H2,2H3,(H,25,30)