[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-phenethylpiperazin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-phenethylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(4-phenethylpiperazin-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(4-phenethyl-1-piperazinyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-phenethylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(4-phenethylpiperazino)methanone Formula: C25H32ClN3O3S MolecularWeight: 490.05788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H32ClN3O3S/c26-23-11-10-22(20-24(23)33(31,32)29-13-6-1-2-7-14-29)25(30)28-18-16-27(17-19-28)15-12-21-8-4-3-5-9-21/h3-5,8-11,20H,1-2,6-7,12-19H2