2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-methyl-N-(1-phenylethyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-methyl-N-(1-phenylethyl)acetamide Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)N(C)C(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H34N4O3S/c1-19(20-10-6-5-7-11-20)22(2)21(26)18-23-14-16-25(17-15-23)29(27,28)24-12-8-3-4-9-13-24/h5-7,10-11,19H,3-4,8-9,12-18H2,1-2H3