1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-thiophen-2-ylsulfonyl-1,4-diazepane

Systemtic Name: 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Openeye Name: 1-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]-4-(2-thienylsulfonyl)-1,4-diazepane CAS Name: 1-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]-4-thiophen-2-ylsulfonyl-1,4-diazepane IUPAC Name: 1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-thiophen-2-ylsulfonyl-1,4-diazepane Traditional Name: 1-(1-p-anisyl-4-piperidyl)-4-(2-thienylsulfonyl)-1,4-diazepane Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(CC2)N3CCCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H31N3O3S2/c1-28-21-7-5-19(6-8-21)18-23-13-9-20(10-14-23)24-11-3-12-25(16-15-24)30(26,27)22-4-2-17-29-22/h2,4-8,17,20H,3,9-16,18H2,1H3